ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate

C18H14Cl2F3NO4 — CID 1479519

IUPACethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2F3NO4/c1-2-27-16(25)9-28-15-8-14(12(19)7-13(15)20)24-17(26)10-4-3-5-11(6-10)18(21,22)23/h3-8H,2,9H2,1H3,(H,24,26)
InChIKeyRZFPUHHILPYXTK-UHFFFAOYSA-N
MW436.21 g/mol
LogP5.21
Rot. Bonds6

About ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate

ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate (PubChem CID 1479519) has the molecular formula C18H14Cl2F3NO4 and a molecular weight of 436.21 g/mol. Its IUPAC name is ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate
PubChem CID1479519
Molecular FormulaC18H14Cl2F3NO4
Molecular Weight436.21 g/mol
Exact Mass435.03
IUPAC Nameethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2F3NO4/c1-2-27-16(25)9-28-15-8-14(12(19)7-13(15)20)24-17(26)10-4-3-5-11(6-10)18(21,22)23/h3-8H,2,9H2,1H3,(H,24,26)
InChIKeyRZFPUHHILPYXTK-UHFFFAOYSA-N
XLogP5.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
CID 83409150
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 41173659
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-3-methoxybenzamide
CID 3423334
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853960

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate (CID 1479519) is ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate is CCOC(=O)COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate?
The InChIKey is RZFPUHHILPYXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3NO4/c1-2-27-16(25)9-28-15-8-14(12(19)7-13(15)20)24-17(26)10-4-3-5-11(6-10)18(21,22)23/h3-8H,2,9H2,1H3,(H,24,26).
What are the key properties of ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate?
ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate has a molecular weight of 436.21 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate is sourced from PubChem (CID 1479519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).